Chemical Properties of Glutaric acid, but-3-yn-2-yl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C17H28O4/c1-7-14(3)21-16(19)10-8-9-15(18)20-12-13(2)11-17(4,5)6/h1,13-14H,8-12H2,2-6H3

InChI Key

OTXFIJQIHMEIMO-UHFFFAOYSA-N

Formula

C17H28O4

SMILES

C#CC(C)OC(=O)CCCC(=O)OCC(C)CC(C)(C)C

Molecular Weight¹

296.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-154.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-611.22	kJ/mol	Joback Calculated Property
ΔfusH°	33.88	kJ/mol	Joback Calculated Property
ΔvapH°	69.53	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.337		Crippen Calculated Property
McVol	256.670	ml/mol	McGowan Calculated Property
Pc	1508.15	kPa	Joback Calculated Property
Inp	[1807.00; 1807.00]
Inp	1807.00		NIST
Inp	1807.00		NIST
Tboil	726.95	K	Joback Calculated Property
Tc	920.18	K	Joback Calculated Property
Tfus	445.06	K	Joback Calculated Property
Vc	0.975	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[742.71; 829.42]	J/mol×K	[726.95; 920.18]
Cp,gas	742.71	J/mol×K	726.95	Joback Calculated Property
Cp,gas	759.49	J/mol×K	759.15	Joback Calculated Property
Cp,gas	775.30	J/mol×K	791.36	Joback Calculated Property
Cp,gas	790.16	J/mol×K	823.56	Joback Calculated Property
Cp,gas	804.12	J/mol×K	855.77	Joback Calculated Property
Cp,gas	817.20	J/mol×K	887.97	Joback Calculated Property
Cp,gas	829.42	J/mol×K	920.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2,4,4-trimethylpentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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